ChemDB: Chemical Search
Download
Chemical ID: 6153098
Chemical ID:
6153098
Name [?]:
2-(3-chloro-4-methoxy-phenyl)imino-N-(2,4-dimethylphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)Cl)OC)S2)C
InChi [?]:
InChI=1/C21H22ClN3O3S/c1-12-5-7-16(13(2)9-12)24-20(27)18-11-19(26)25(3)21(29-18)23-14-6-8-17(28-4)15(22)10-14/h5-10,18H,11H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,29,27,3,20,4,21,7,24,13,2,6,19,23,5,22,12,14,10,17,25,18,9,16,15,11,26,28/rA:29cCCCCCCCCNCOCCCONCNCCCCCCClOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s22;s26;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22ClN3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0351 |
Area: | 638.567 |
Solvation: | -4.92911 |
Coulombic: | -48.532 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 431.936 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.06 |
LogP (Chemaxon): | 4.42 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|